File: pV6Z

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$Basis = pV6Z
$
$Elements supported
$H C N O
$
$Note: an error was discovered in the carbon basis set published in J. Chem.
$Phys. 101, (1994).  That error has been corrected in this version of the basis.
$
$This collection of basis sets was designed to mimic and extend the correlation
$consistent sets.  These sets were created before the official cc-pV6Z sets were
$developed.
$
$  REFERENCE
$Elements                             References
$--------                             ----------
$H:         T. H. Dunning, Jr., (to be published).
$C:         A.D. Pradhan, H. Partridge and C.W. Bauschlicher, Jr., J. Chem.
$           Phys. 101, 3857 (1994) with correction to the p set.
$O:         (s,p) set from H. Partridge, (d,f,g) from T.H. Dunning, Jr.,
$           (h,i) from D. Feller.
$N:         C.W. Bauschlicher, Jr. and H. Partridge, J. Chem. Phys. 100,
$           4329 (1994).
************************************************************************
a 1
$ HYDROGEN     (10s,5p,4d,3f,2g,1h) -> [6s,5p,4d,3f,2g,1h]
$ S-TYPE FUNCTIONS
   10    6    0
     1776.775560  0.00004400  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
      254.017712  0.00037200  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
       54.698039  0.00209400  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
       15.018344  0.00886300  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
        4.915078  0.03054000  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
        1.794924  0.09034200  1.00000000  0.00000000  0.00000000  0.00000000  0.00000000
        0.710716  0.21323900  0.00000000  1.00000000  0.00000000  0.00000000  0.00000000
        0.304802  0.35235000  0.00000000  0.00000000  1.00000000  0.00000000  0.00000000
        0.138046  0.33965700  0.00000000  0.00000000  0.00000000  1.00000000  0.00000000
        0.062157  0.10733000  0.00000000  0.00000000  0.00000000  0.00000000  1.00000000
$ P-TYPE FUNCTIONS
    5    5    0
        4.395000  1.00000000  0.00000000  0.00000000  0.00000000  0.00000000
        1.995000  0.00000000  1.00000000  0.00000000  0.00000000  0.00000000
        0.906000  0.00000000  0.00000000  1.00000000  0.00000000  0.00000000
        0.411000  0.00000000  0.00000000  0.00000000  1.00000000  0.00000000
        0.186600  0.00000000  0.00000000  0.00000000  0.00000000  1.00000000
$ D-TYPE FUNCTIONS
    4    4    0
        4.974000  1.00000000  0.00000000  0.00000000  0.00000000
        2.215000  0.00000000  1.00000000  0.00000000  0.00000000
        0.986000  0.00000000  0.00000000  1.00000000  0.00000000
        0.439000  0.00000000  0.00000000  0.00000000  1.00000000
$ F-TYPE FUNCTIONS
    3    3    0
        3.665000  1.00000000  0.00000000  0.00000000
        1.619000  0.00000000  1.00000000  0.00000000
        0.715000  0.00000000  0.00000000  1.00000000
$ G-TYPE FUNCTIONS
    2    2    0
        3.448000  1.00000000  0.00000000
        1.312000  0.00000000  1.00000000
$ H-TYPE FUNCTIONS
    1    1    0
        2.758000  1.00000000
a 6
$ CARBON       (16s,11p,5d,4f,3g,2h,1i) -> [7s,6p,5d,4f,3g,2h,1i]
$ S-TYPE FUNCTIONS
   16    7    0
   312229.000000  0.00000600  0.00000100  0.00000000  0.00000000  0.00000000  0.00000000
        0.000000
    46749.690000  0.00004400  0.00000900  0.00000000  0.00000000  0.00000000  0.00000000
        0.000000
    10638.550000  0.00023200  0.00004900  0.00000000  0.00000000  0.00000000  0.00000000
        0.000000
     3013.287000  0.00097900  0.00020900  0.00000000  0.00000000  0.00000000  0.00000000
        0.000000
      983.046400  0.00355000  0.00076000  0.00000000  0.00000000  0.00000000  0.00000000
        0.000000
      354.887700  0.01143900  0.00245400  0.00000000  0.00000000  0.00000000  0.00000000
        0.000000
      138.403400  0.03300200  0.00720200  0.00000000  0.00000000  0.00000000  0.00000000
        0.000000
       57.361840  0.08399600  0.01879500  0.00000000  0.00000000  0.00000000  0.00000000
        0.000000
       24.928380  0.18068400  0.04324900  0.00000000  0.00000000  0.00000000  0.00000000
        0.000000
       11.229640  0.30498900  0.08262100  0.00000000  0.00000000  0.00000000  0.00000000
        0.000000
        5.201549  0.34128800  0.12851800  0.00000000  0.00000000  0.00000000  0.00000000
        0.000000
        2.426564  0.00000000  0.00000000  1.00000000  0.00000000  0.00000000  0.00000000
        0.000000
        0.967344  0.00000000  0.00000000  0.00000000  1.00000000  0.00000000  0.00000000
        0.000000
        0.445599  0.00000000  0.00000000  0.00000000  0.00000000  1.00000000  0.00000000
        0.000000
        0.197122  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000  1.00000000
        0.000000
        0.086347  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
        1.000000
$ P-TYPE FUNCTIONS
   11    6    0
      478.641500  0.00006200  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
      113.418400  0.00053700  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
       36.816230  0.00292600  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
       13.964920  0.01150300  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
        5.780787  0.03572100  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
        2.543594  0.09312000  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
        1.173779  0.00000000  1.00000000  0.00000000  0.00000000  0.00000000  0.00000000
        0.553675  0.00000000  0.00000000  1.00000000  0.00000000  0.00000000  0.00000000
        0.262173  0.00000000  0.00000000  0.00000000  1.00000000  0.00000000  0.00000000
        0.123617  0.00000000  0.00000000  0.00000000  0.00000000  1.00000000  0.00000000
        0.056671  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000  1.00000000
$ D-TYPE FUNCTIONS
    5    5    0
        5.558400  1.00000000  0.00000000  0.00000000  0.00000000  0.00000000
        2.316000  0.00000000  1.00000000  0.00000000  0.00000000  0.00000000
        0.965000  0.00000000  0.00000000  1.00000000  0.00000000  0.00000000
        0.402083  0.00000000  0.00000000  0.00000000  1.00000000  0.00000000
        0.167535  0.00000000  0.00000000  0.00000000  0.00000000  1.00000000
$ F-TYPE FUNCTIONS
    4    4    0
        2.862909  1.00000000  0.00000000  0.00000000  0.00000000
        1.192879  0.00000000  1.00000000  0.00000000  0.00000000
        0.497033  0.00000000  0.00000000  1.00000000  0.00000000
        0.207097  0.00000000  0.00000000  0.00000000  1.00000000
$ G-TYPE FUNCTIONS
    3    3    0
        3.126000  1.00000000  0.00000000  0.00000000
        1.340000  0.00000000  1.00000000  0.00000000
        0.558333  0.00000000  0.00000000  1.00000000
$ H-TYPE FUNCTIONS
    2    2    0
        1.905510  1.00000000  0.00000000
        0.793962  0.00000000  1.00000000
$ I-TYPE FUNCTIONS
    1    1    0
        1.509000  1.00000000
a7
$ NITROGEN     (16s,11p,5d,4f,3g,2h,1i) -> [7s,6p,5d,4f,3g,2h,1i]
$ S-TYPE FUNCTIONS
   16    7    0
   432381.100000  0.00000600  0.00000100  0.00000000  0.00000000  0.00000000  0.00000000
        0.000000
    64743.420000  0.00004300  0.00001000  0.00000000  0.00000000  0.00000000  0.00000000
        0.000000
    14733.700000  0.00022900  0.00005000  0.00000000  0.00000000  0.00000000  0.00000000
        0.000000
     4173.254000  0.00096500  0.00021300  0.00000000  0.00000000  0.00000000  0.00000000
        0.000000
     1361.477000  0.00350000  0.00077500  0.00000000  0.00000000  0.00000000  0.00000000
        0.000000
      491.504900  0.01128400  0.00250400  0.00000000  0.00000000  0.00000000  0.00000000
        0.000000
      191.685700  0.03259900  0.00736200  0.00000000  0.00000000  0.00000000  0.00000000
        0.000000
       79.454990  0.08323000  0.01928600  0.00000000  0.00000000  0.00000000  0.00000000
        0.000000
       34.549680  0.17993000  0.04469900  0.00000000  0.00000000  0.00000000  0.00000000
        0.000000
       15.586730  0.30495500  0.08604800  0.00000000  0.00000000  0.00000000  0.00000000
        0.000000
        7.235444  0.34115900  0.13324900  0.00000000  0.00000000  0.00000000  0.00000000
        0.000000
        3.383739  0.00000000  0.00000000  1.00000000  0.00000000  0.00000000  0.00000000
        0.000000
        1.369728  0.00000000  0.00000000  0.00000000  1.00000000  0.00000000  0.00000000
        0.000000
        0.625089  0.00000000  0.00000000  0.00000000  0.00000000  1.00000000  0.00000000
        0.000000
        0.274819  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000  1.00000000
        0.000000
        0.119209  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
        1.000000
$ P-TYPE FUNCTIONS
   11    6    0
      673.555600  0.00006400  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
      159.584500  0.00056200  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
       51.801700  0.00308500  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
       19.673430  0.01229800  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
        8.175345  0.03862500  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
        3.616131  0.09981500  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
        1.673414  0.00000000  1.00000000  0.00000000  0.00000000  0.00000000  0.00000000
        0.789246  0.00000000  0.00000000  1.00000000  0.00000000  0.00000000  0.00000000
        0.372339  0.00000000  0.00000000  0.00000000  1.00000000  0.00000000  0.00000000
        0.174038  0.00000000  0.00000000  0.00000000  0.00000000  1.00000000  0.00000000
        0.078681  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000  1.00000000
$ D-TYPE FUNCTIONS
    5    5    0
        7.678080  1.00000000  0.00000000  0.00000000  0.00000000  0.00000000
        3.199200  0.00000000  1.00000000  0.00000000  0.00000000  0.00000000
        1.333000  0.00000000  0.00000000  1.00000000  0.00000000  0.00000000
        0.555417  0.00000000  0.00000000  0.00000000  1.00000000  0.00000000
        0.231424  0.00000000  0.00000000  0.00000000  0.00000000  1.00000000
$ F-TYPE FUNCTIONS
    4    4    0
        4.008073  1.00000000  0.00000000  0.00000000  0.00000000
        1.670030  0.00000000  1.00000000  0.00000000  0.00000000
        0.695846  0.00000000  0.00000000  1.00000000  0.00000000
        0.289936  0.00000000  0.00000000  0.00000000  1.00000000
$ G-TYPE FUNCTIONS
    3    3    0
        4.063200  1.00000000  0.00000000  0.00000000
        1.693000  0.00000000  1.00000000  0.00000000
        0.705417  0.00000000  0.00000000  1.00000000
$ H-TYPE FUNCTIONS
    2    2    0
        2.779253  1.00000000  0.00000000
        1.158022  0.00000000  1.00000000
$ I-TYPE FUNCTIONS
    1    1    0
        2.222000  1.00000000
a 8
$ OXYGEN       (16s,10p,5d,4f,3g,2h,1i) -> [7s,6p,5d,4f,3g,2h,1i]
$ S-TYPE FUNCTIONS
   16    7    0
   570979.800000  0.00000600 -0.00000100  0.00000000  0.00000000  0.00000000  0.00000000
        0.000000
    85496.900000  0.00004300 -0.00001000  0.00000000  0.00000000  0.00000000  0.00000000
        0.000000
    19456.650000  0.00022700 -0.00005100  0.00000000  0.00000000  0.00000000  0.00000000
        0.000000
     5511.030000  0.00095700 -0.00021700  0.00000000  0.00000000  0.00000000  0.00000000
        0.000000
     1797.919000  0.00347200 -0.00079100  0.00000000  0.00000000  0.00000000  0.00000000
        0.000000
      649.067700  0.01119600 -0.00255900  0.00000000  0.00000000  0.00000000  0.00000000
        0.000000
      253.138600  0.03237500 -0.00753000  0.00000000  0.00000000  0.00000000  0.00000000
        0.000000
      104.937900  0.08283500 -0.01978200  0.00000000  0.00000000  0.00000000  0.00000000
        0.000000
       45.650360  0.17966800 -0.04608600  0.00000000  0.00000000  0.00000000  0.00000000
        0.000000
       20.617620  0.30520100 -0.08918900  0.00000000  0.00000000  0.00000000  0.00000000
        0.000000
        9.586759  0.34088900 -0.13755000  0.00000000  0.00000000  0.00000000  0.00000000
        0.000000
        4.492510  0.17742200 -0.10510800  1.00000000  0.00000000  0.00000000  0.00000000
        0.000000
        1.836943  0.02047000  0.14478400  0.00000000  1.00000000  0.00000000  0.00000000
        0.000000
        0.834803 -0.00095900  0.44160000  0.00000000  0.00000000  1.00000000  0.00000000
        0.000000
        0.365722  0.00105300  0.44454500  0.00000000  0.00000000  0.00000000  1.00000000
        0.000000
        0.157034 -0.00009600  0.12823200  0.00000000  0.00000000  0.00000000  0.00000000
        1.000000
$ P-TYPE FUNCTIONS
   10    6    0
      525.763800  0.00016700  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
      124.630600  0.00143300  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
       40.343000  0.00754800  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
       15.178310  0.02860100  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
        6.245039  0.08436100  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
        2.732624  0.18742700  1.00000000  0.00000000  0.00000000  0.00000000  0.00000000
        1.227200  0.29795300  0.00000000  1.00000000  0.00000000  0.00000000  0.00000000
        0.549190  0.33862300  0.00000000  0.00000000  1.00000000  0.00000000  0.00000000
        0.241776  0.24723300  0.00000000  0.00000000  0.00000000  1.00000000  0.00000000
        0.102505  0.07002400  0.00000000  0.00000000  0.00000000  0.00000000  1.00000000
$ D-TYPE FUNCTIONS
    5    5    0
        7.700200  1.00000000  0.00000000  0.00000000  0.00000000  0.00000000
        3.362500  0.00000000  1.00000000  0.00000000  0.00000000  0.00000000
        1.468400  0.00000000  0.00000000  1.00000000  0.00000000  0.00000000
        0.641200  0.00000000  0.00000000  0.00000000  1.00000000  0.00000000
        0.280000  0.00000000  0.00000000  0.00000000  0.00000000  1.00000000
$ F-TYPE FUNCTIONS
    4    4    0
        6.253700  1.00000000  0.00000000  0.00000000  0.00000000
        2.708400  0.00000000  1.00000000  0.00000000  0.00000000
        1.172900  0.00000000  0.00000000  1.00000000  0.00000000
        0.508000  0.00000000  0.00000000  0.00000000  1.00000000
$ G-TYPE FUNCTIONS
    3    3    0
        5.001700  1.00000000  0.00000000  0.00000000
        2.115800  0.00000000  1.00000000  0.00000000
        0.895000  0.00000000  0.00000000  1.00000000
$ H-TYPE FUNCTIONS
    2    2    0
        4.020700  1.00000000  0.00000000
        1.553000  0.00000000  1.00000000
$ I-TYPE FUNCTIONS
    1    1    0
        2.600000  1.00000000